There is a lot of confusion about this!
You can call it R3:H ( indexed with a=b and gamma = 120)
This is also called H 3 in the PDB deposition and the CCP4 symmetry
libraries.
(But for the CCP4 library - it checks the axes and angles to decide
whether this is using the H ( or hexagonal) convention..)
The name R3:R or R3 is usually used for indexing where a=b=c, and
alpha=beta=gamma.
However both conventions describe the same diffraction. pointless or
othercell ( from the CCP4 prereleae) will give you the reindexing
transformations to change from one convention to the other.
It is usually easier to visualise a protein molecule in the H3
convention but not always..
Eleanor
linwoo kang wrote:
> Dear all
>
> Recently I collected a dataset, which is rhombohedral on indexing
> screen of HKL2000.
> I processed the dataset as R3 and R32 at synchrotron.
> But I realized it can be H3 or H32. Is it correct?
> Cell dimensions are a=b >< c and alpha=90, beta=90, and gamma=120.
> For me, synchrotron is only place to index and scale data.
>
> Can I just change space group at CCP4i from sca file processed by R3
> into H3 space group or so?
> Because cell dimensions are same, maybe indexing can be same.
> Accordingly just scaling can be enough for changing space groups but I
> am still concerned about completeness and rejected spots, which can be
> different at different space groups.
>
> Please advise me! Thanks.
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